methyl 2-{2-[4-butyl-5-[(2'-cyanobiphenyl-4-yl)methyl]-2-methyl-6-oxopyrimidin-1(6H)-yl]pyrimidin-5-yloxy}-3-phenylpropionate | 1251746-51-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-{2-[4-butyl-5-[(2'-cyanobiphenyl-4-yl)methyl]-2-methyl-6-oxopyrimidin-1(6H)-yl]pyrimidin-5-yloxy}-3-phenylpropionate
• 英文别名: Methyl 2-[2-[4-butyl-5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]pyrimidin-5-yl]oxy-3-phenylpropanoate
• CAS: 1251746-51-6
• 化学式: C₃₇H₃₅N₅O₄
• 分子量: 613.716
• InChiKey: VGQDEBNZRZJTJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME
  申请人：Kowa Company, Ltd.

  公开号：EP2420501A1

  公开（公告）日：2012-02-22

  Disclosed is a compound which has both an angiotensin-II receptor antagonistic activity and a PPARγ activation activity and is useful as a prophylactic and/or therapeutic agent for hypertension, heart diseases, angina pectoris, cerebrovascular disorders, cerebral circulatory disorders, ischemic peripheral circulatory disorders, renal diseases, arteriosclerosis, inflammatory diseases, type-2 diabetes, diabetic complications, insulin resistance syndrome, syndrome X, metabolic syndrome and hyperinsulinemia. [In the formula, A represents a 5- to 10-membered heteroaryl group; R1 and R2 independently represent a C1-6 alkyl group; and each of R3 to R5 is absent or represents H, a halogen atom, OH, NO2, a halo-C1-6 alkyl group, a (substituted) C1-6 alkoxy group, a (substituted) C3-6 cycloalkyloxy group, or a 5- to 10-membered heteroaryl group.]

  本发明公开了一种化合物，该化合物同时具有血管紧张素-II 受体拮抗活性和 PPARγ 激活活性，可作为高血压、心脏病、心绞痛、脑血管疾病、脑循环障碍、缺血性外周循环障碍、肾脏疾病、动脉硬化、炎症性疾病、2 型糖尿病、糖尿病并发症、胰岛素抵抗综合征、X 综合征、代谢综合征和高胰岛素血症的预防和/或治疗药物。[式中，A 代表 5 至 10 元杂芳基；R1 和 R2 独立地代表 C1-6 烷基；R3 至 R5 中的每一个不存在或代表 H、卤素原子、OH、NO2、卤代-C1-6 烷基、（取代的）C1-6 烷氧基、（取代的）C3-6 环烷氧基或 5 至 10 元杂芳基。］
• US8664226B2
  申请人：——

  公开号：US8664226B2

  公开（公告）日：2014-03-04